Microcolin A

CAT: 1299-RG-M021001-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-M021001-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

141205-31-4

Synonyms

(2R,3S) -4- (((S) -1- ((2S,4S) -4-hydroxy-2- ((S) -2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl) pyrrolidin-1-yl) -3-methyl-1-oxobutan-2-yl) (methyl) amino) -3- ((S) -4-methyl-2- ((2R,4R) -N,2,4-trimethyloctanamido) pentanamido) -4-oxobutan-2-yl acetate

Molecular Formula

C39H65N5O9

Molecular Weight

747.98

Product Name Synonym

Chemical Information

Microcolin A

Microcolin A is a peptide.

CAS Number	141205-31-4
PubChem CID	15784539
IUPAC Name	[(3S)-3-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
Molecular Formula	C39H65N5O9
Molecular Weight	748.0
XLogP	4.7
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Heavy Atom Count	53
Formal Charge	0
Complexity	1370

SMILES

CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)OC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](C=CC2=O)C)O

InChI

InChI=1S/C39H65N5O9/c1-13-14-15-24(6)19-25(7)36(49)41(11)30(18-22(2)3)35(48)40-33(27(9)53-28(10)45)38(51)42(12)34(23(4)5)39(52)43-21-29(46)20-31(43)37(50)44-26(8)16-17-32(44)47/h16-17,22-27,29-31,33-34,46H,13-15,18-21H2,1-12H3,(H,40,48)/t24-,25-,26+,27?,29+,30+,31+,33+,34+/m1/s1

InChIKey

MSXKGFVHTYHBSG-VPMUVMFGSA-N

Chemical Structure

2D Structure

CAS: 141205-31-4

CID: 15784539

Formula: C39H65N5O9

MW: 748.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	748.0
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Exact Mass	747.47822867
Monoisotopic Mass	747.47822867
Topological Polar Surface Area	174 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1370
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T38837	Microcolin B
HY-163001-01	Microcolin H

Microcolin A

Chemical Information

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